N,N-dimethylmethanamine;bis(1H-indole);nitromethane

C20H26N4O2 — CID 159385402

IUPACN,N-dimethylmethanamine;bis(1H-indole);nitromethane
SMILESCN(C)C.C[N+](=O)[O-].c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1
InChIInChI=1S/2C8H7N.C3H9N.CH3NO2/c2*1-2-4-8-7(3-1)5-6-9-8;1-4(2)3;1-2(3)4/h2*1-6,9H;1-3H3;1H3
InChIKeyLLKVCLURCKPVGL-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.41
Rot. Bonds

About N,N-dimethylmethanamine;bis(1H-indole);nitromethane

N,N-dimethylmethanamine;bis(1H-indole);nitromethane (PubChem CID 159385402) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N,N-dimethylmethanamine;bis(1H-indole);nitromethane.

Molecular Properties

Compound NameN,N-dimethylmethanamine;bis(1H-indole);nitromethane
PubChem CID159385402
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN,N-dimethylmethanamine;bis(1H-indole);nitromethane
SMILESCN(C)C.C[N+](=O)[O-].c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1
InChIInChI=1S/2C8H7N.C3H9N.CH3NO2/c2*1-2-4-8-7(3-1)5-6-9-8;1-4(2)3;1-2(3)4/h2*1-6,9H;1-3H3;1H3
InChIKeyLLKVCLURCKPVGL-UHFFFAOYSA-N
XLogP4.41
TPSA77.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;bis(1H-indole);nitromethane?
The IUPAC name of N,N-dimethylmethanamine;bis(1H-indole);nitromethane (CID 159385402) is N,N-dimethylmethanamine;bis(1H-indole);nitromethane.
What is the SMILES notation for N,N-dimethylmethanamine;bis(1H-indole);nitromethane?
The canonical SMILES for N,N-dimethylmethanamine;bis(1H-indole);nitromethane is CN(C)C.C[N+](=O)[O-].c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.
What is the InChIKey of N,N-dimethylmethanamine;bis(1H-indole);nitromethane?
The InChIKey is LLKVCLURCKPVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H7N.C3H9N.CH3NO2/c2*1-2-4-8-7(3-1)5-6-9-8;1-4(2)3;1-2(3)4/h2*1-6,9H;1-3H3;1H3.
What are the key properties of N,N-dimethylmethanamine;bis(1H-indole);nitromethane?
N,N-dimethylmethanamine;bis(1H-indole);nitromethane has a molecular weight of 354.45 g/mol, XLogP of 4.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;bis(1H-indole);nitromethane is sourced from PubChem (CID 159385402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).